N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide

Systemtic Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Openeye Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide CAS Name: N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]butanamide Traditional Name: N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5OS/c1-2-6-16(23)19-17(24)18-12-9-10-14-15(11-12)21-22(20-14)13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H2,18,19,23,24)